Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
-9.5668 0.5897 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1996 0.7537 -1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5400 -0.5435 -1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3537 -1.4790 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5917 -1.0284 0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1869 -0.6228 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7544 0.5310 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2372 0.7285 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4183 -0.4287 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9346 -0.2021 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4481 0.9829 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0487 1.1889 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3981 1.4365 0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8891 1.6457 0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6777 0.4499 0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1437 0.7911 0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0353 -0.3487 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4414 0.0653 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7443 1.1883 0.8747 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5014 -0.8242 0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8788 -0.4916 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7254 -1.6403 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5523 -2.2527 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1233 -0.2781 -1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1621 1.4912 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5887 0.5100 0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2773 1.3876 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5875 1.3146 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6340 -0.3758 -2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2418 -1.0355 -2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4105 -1.7640 -0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9992 -2.4703 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6357 -1.8634 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2217 -0.2238 1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5578 -1.5393 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8795 -0.3871 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8527 0.4910 -1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1932 1.4699 0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0317 0.9758 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9502 1.6115 -0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5241 -0.6081 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6406 -1.3956 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6993 -0.1034 1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3776 -1.0978 -0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5862 0.7607 -1.9414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9959 1.9205 -0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4037 1.9679 -1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5118 0.2235 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8940 2.3267 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1561 0.5554 1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1248 1.8655 1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1428 2.5590 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3643 -0.4565 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5079 0.3228 -0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3794 1.6639 0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3263 0.9349 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7837 -1.3055 0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8986 -0.4536 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2320 -1.7496 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0654 -0.2813 1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1396 0.4018 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6825 -2.0012 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1633 -3.0764 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5899 -1.8859 1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers